COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -3.140   2.775   1.059  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -1.543   2.835   0.382  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.830   3.949   0.427  1.00  0.00           N  
HETATM    4  C   UNL     1       0.392   4.002  -0.088  1.00  0.00           C  
HETATM    5  N   UNL     1       1.096   5.192  -0.015  1.00  0.00           N  
HETATM    6  N   UNL     1       0.961   2.960  -0.669  1.00  0.00           N  
HETATM    7  C   UNL     1       0.315   1.800  -0.758  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.982   1.708  -0.217  1.00  0.00           C  
HETATM    9  N   UNL     1       0.626   0.575  -1.285  1.00  0.00           N  
HETATM   10  C   UNL     1       1.893   0.244  -1.942  1.00  0.00           C  
HETATM   11  C   UNL     1       2.910  -0.152  -0.902  1.00  0.00           C  
HETATM   12  C   UNL     1       3.021  -1.475  -0.528  1.00  0.00           C  
HETATM   13  C   UNL     1       2.135  -2.523  -1.151  1.00  0.00           C  
HETATM   14  C   UNL     1       3.964  -1.829   0.434  1.00  0.00           C  
HETATM   15  O   UNL     1       4.105  -3.121   0.828  1.00  0.00           O  
HETATM   16  C   UNL     1       5.036  -3.924   0.101  1.00  0.00           C  
HETATM   17  C   UNL     1       4.760  -0.825   0.980  1.00  0.00           C  
HETATM   18  C   UNL     1       5.797  -1.155   2.023  1.00  0.00           C  
HETATM   19  C   UNL     1       4.588   0.475   0.552  1.00  0.00           C  
HETATM   20  N   UNL     1       3.686   0.771  -0.366  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.414  -0.296  -1.111  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.430   0.329  -0.464  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.690  -0.242  -0.092  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.723  -0.710   0.212  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.017  -1.297   0.594  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.067  -2.758   0.145  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.936  -3.538   0.818  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.413  -3.368   0.542  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.914  -2.826  -1.274  1.00  0.00           O  
HETATM   30  H   UNL     1       0.695   5.968   0.408  1.00  0.00           H  
HETATM   31  H   UNL     1       1.991   5.250  -0.386  1.00  0.00           H  
HETATM   32  H   UNL     1       1.739  -0.585  -2.633  1.00  0.00           H  
HETATM   33  H   UNL     1       2.256   1.113  -2.492  1.00  0.00           H  
HETATM   34  H   UNL     1       2.619  -2.926  -2.040  1.00  0.00           H  
HETATM   35  H   UNL     1       1.964  -3.326  -0.435  1.00  0.00           H  
HETATM   36  H   UNL     1       1.181  -2.073  -1.428  1.00  0.00           H  
HETATM   37  H   UNL     1       4.736  -3.969  -0.947  1.00  0.00           H  
HETATM   38  H   UNL     1       6.031  -3.485   0.176  1.00  0.00           H  
HETATM   39  H   UNL     1       5.051  -4.931   0.518  1.00  0.00           H  
HETATM   40  H   UNL     1       6.744  -1.384   1.535  1.00  0.00           H  
HETATM   41  H   UNL     1       5.928  -0.300   2.687  1.00  0.00           H  
HETATM   42  H   UNL     1       5.468  -2.017   2.602  1.00  0.00           H  
HETATM   43  H   UNL     1       5.200   1.260   0.970  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.424  -1.327  -1.436  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.135  -1.245   1.677  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.824  -0.741   0.115  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.053  -3.486   1.901  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.971  -4.579   0.498  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.977  -3.103   0.535  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.219  -2.813   0.062  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.449  -4.410   0.222  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.530  -3.317   1.624  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.598  -2.352  -1.767  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   30   31                                            
CONECT    6    4    7    7                                            
CONECT    7    6    6    9    8                                       
CONECT    8    2    2    7   22                                       
CONECT    9    7   10   21                                            
CONECT   10    9   11   32   33                                       
CONECT   11   10   20   12   12                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   34   35   36                                       
CONECT   14   12   17   17   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   37   38   39                                       
CONECT   17   14   14   19   18                                       
CONECT   18   17   40   41   42                                       
CONECT   19   17   20   20   43                                       
CONECT   20   11   19   19                                            
CONECT   21    9   22   22   44                                       
CONECT   22    8   21   21   23                                       
CONECT   23   22   24   24   24                                       
CONECT   24   23   23   23   25                                       
CONECT   25   24   26   45   46                                       
CONECT   26   25   28   29   27                                       
CONECT   27   26   47   48   49                                       
CONECT   28   26   50   51   52                                       
CONECT   29   26   53                                                 
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
